Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50013838   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against P. falciparum S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50135289 ((1S,2R,3S,4R)-4-(6-Amino-2-fluoro-purin-9-yl)-cycl...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4(17)7(19)6(3)18/h2-4,6-7,17-19H,1H2,(H2,12,14,15)/t3-,4+,6+,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50135289 ((1S,2R,3S,4R)-4-(6-Amino-2-fluoro-purin-9-yl)-cycl...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4(17)7(19)6(3)18/h2-4,6-7,17-19H,1H2,(H2,12,14,15)/t3-,4+,6+,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against P. falciparum S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50135289 ((1S,2R,3S,4R)-4-(6-Amino-2-fluoro-purin-9-yl)-cycl...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4(17)7(19)6(3)18/h2-4,6-7,17-19H,1H2,(H2,12,14,15)/t3-,4+,6+,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against P. falciparum S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50135289 ((1S,2R,3S,4R)-4-(6-Amino-2-fluoro-purin-9-yl)-cycl...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4(17)7(19)6(3)18/h2-4,6-7,17-19H,1H2,(H2,12,14,15)/t3-,4+,6+,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against P. falciparum S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair